Glycoside
GD154907
Name:
1-(4-{[6,6'-bis(hydroxymethyl)-[2,2'-bioxane]-3,3',4,4',5,5'-hexyl]oxy}-2-hydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-oneFormula:
C27H32O15Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(OC2(C3OC(CO)C(O)C(O)C3O)OC(CO)C(O)C(O)C2O)cc1OAglycone:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1OSugarmoiety:
OCC1OC(C2(O)OC(CO)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 4 |
| HBD: | 11 | FractionCSP3: | 0.44 |
| AlogP: | -2.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 596.54 | Num_heavy_atoms: | 42 |
| TPSA: | 267.29 | NumAromaticRings: | 2 |
Unique Aglycone
AD23494
Formula: C15H12O5
Smiles:
O=C(C=Cc1ccc(O)c(O)c1)c1ccc(O)cc1O| HBA: | 5 | RingCount: | 2 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 2.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 272.26 | Num_heavy_atoms: | 20 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
